Secondary structure calculation program - copyright by David Keith Smith, 1989
1kk6A.pdb
1KK6 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 207
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 MET M 0 0 999.9 143.2 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 16
2 A 2 GLY G - 0 0 82.0 168.1 179.5 -59.6 999.9 94.2 0 0.0 0 0.0 0 0.0 0 0.0 4 26
3 A 3 PRO P - 0 0 -79.4 173.6 178.6 -99.1 53.0 103.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
4 A 4 ASN N t > T - 0 0 -96.1 116.7 -179.5 -152.8 25.3 150.7 0 0.0 7 -1.8 0 0.0 0 0.0 6 29
5 A 5 PRO P T T 3 TS+ 0 0 -63.3 -15.2 -179.1 62.1 93.4 50.8 0 0.0 0 0.0 0 0.0 0 0.0 11 37
6 A 6 MET M T T 3 TS+ 0 0 -88.4 -11.1 179.8 99.0 82.3 55.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
7 A 7 LYS K t < T - 0 0 -81.3 136.1 179.8 -149.9 65.2 128.7 4 -1.8 0 0.0 0 0.0 0 0.0 9 32
8 A 8 MET M S S S+ 0 0 -71.0 -38.2 178.7 30.9 96.6 33.2 0 0.0 19 -1.7 0 0.0 0 0.0 10 37
9 A 9 TYR Y S S S- 0 0 -124.5 83.9 -179.5 -176.8 72.9 140.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
10 A 10 PRO P + 0 0 -47.6 -43.2 -178.8 70.7 66.3 34.9 0 0.0 12 -0.7 0 0.0 0 0.0 11 31
11 A 11 ILE I S t > TS- 0 0 -88.1 115.4 -178.7 -120.8 90.3 136.4 0 0.0 14 -0.8 0 0.0 0 0.0 8 25
12 A 12 GLU E T T 3 TS+ 0 0 -53.3 142.6 -179.9 11.2 93.1 97.5 10 -0.7 0 0.0 0 0.0 0 0.0 5 17
13 A 13 GLY G T T 3 TS+ 0 0 54.4 42.6 180.0 109.6 105.8 25.4 0 0.0 0 0.0 0 0.0 0 0.0 4 13
14 A 14 ASN N t < T + 0 0 -152.4 105.6 -178.4 173.5 37.5 142.6 11 -0.8 0 0.0 0 0.0 0 0.0 7 22
15 A 15 LYS K S S S+ 0 0 -98.3 17.3 -179.5 73.6 70.3 79.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
16 A 16 SER S S e S+ 0 0 -94.7 -48.3 179.6 57.8 86.3 28.0 0 0.0 40 -2.6 0 0.0 0 0.0 9 32
17 A 17 VAL V E E AA + 39 0 -89.4 127.9 -178.9 178.4 68.9 138.2 0 0.0 0 0.0 0 0.0 0 0.0 12 42
18 A 18 GLN Q E E AA - 38 0 -128.4 156.2 177.5 -120.8 33.2 154.3 38 -2.2 38 -2.1 0 0.0 20 -0.6 13 49
19 A 19 PHE F E E >AA T - 37 0 -94.0 127.0 -176.6 -148.6 25.6 148.9 8 -1.7 23 -0.7 0 0.0 0 0.0 17 48
20 A 20 ILE I H H > TS+ 0 0 -72.1 -26.1 -179.3 66.1 83.3 42.0 36 -2.4 24 -2.7 18 -0.6 0 0.0 15 61
21 A 21 LYS K H H > TS+ 0 0 -63.7 -51.6 179.5 52.3 97.5 17.0 0 0.0 25 -2.2 0 0.0 0 0.0 14 47
22 A 22 PRO P H H 4 TS+ 0 0 -51.0 -36.5 -178.4 41.0 118.0 29.8 0 0.0 0 0.0 0 0.0 0 0.0 11 36
23 A 23 ILE I H H < TS+ 0 0 -78.3 -54.8 -178.7 33.8 122.0 19.0 19 -0.7 0 0.0 0 0.0 0 0.0 11 44
24 A 24 LEU L H H < > TS+ 0 0 -71.1 -41.7 179.7 75.4 100.7 27.7 20 -2.7 27 -4.2 0 0.0 0 0.0 12 42
25 A 25 GLU E T h < 3 TS+ 0 0 -38.0 -38.7 179.7 69.2 84.9 36.9 21 -2.2 0 0.0 0 0.0 0 0.0 10 34
26 A 26 LYS K T T 3 TS+ 0 0 -61.5 -6.3 -177.5 84.6 94.1 56.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
27 A 27 LEU L S t X TS- 0 0 -105.8 167.2 -179.5 -99.5 82.0 123.4 24 -4.2 30 -0.6 0 0.0 0 0.0 6 32
28 A 28 GLU E T T 3 TS+ 0 0 -82.3 138.7 178.5 0.9 96.4 123.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
29 A 29 ASN N T e 3 TS+ 0 0 53.6 41.4 179.7 120.4 101.1 30.9 0 0.0 61 -1.8 0 0.0 0 0.0 9 33
30 A 30 VAL V E E Bb < T - 61 0 -139.5 131.5 178.0 -175.6 39.2 177.2 27 -0.6 0 0.0 0 0.0 0 0.0 10 46
31 A 31 GLU E E E Bb - 62 0 -126.4 130.9 -179.5 -179.8 10.4 174.9 61 -2.1 63 -2.2 0 0.0 0 0.0 11 40
32 A 32 VAL V E E Bb - 63 0 -133.7 148.4 179.4 -115.6 25.6 165.8 0 0.0 0 0.0 0 0.0 0 0.0 13 49
33 A 33 GLY G e - 0 0 -79.9 159.1 -176.8 -113.6 29.2 115.6 64 -1.3 0 0.0 63 -0.8 0 0.0 12 49
34 A 34 GLU E S S S+ 0 0 -63.3 -38.1 -177.2 32.6 105.2 37.6 0 0.0 0 0.0 0 0.0 0 0.0 12 46
35 A 35 TYR Y S S S+ 0 0 -104.3 -3.9 179.3 120.0 81.2 57.7 0 0.0 0 0.0 0 0.0 0 0.0 11 53
36 A 36 SER S e - 0 0 -59.8 134.3 179.3 -166.7 45.6 110.5 0 0.0 20 -2.4 0 0.0 0 0.0 15 60
37 A 37 TYR Y E E AAc - 19 68 -125.0 167.8 179.2 -143.1 18.2 143.2 67 -2.2 69 -2.0 0 0.0 0 0.0 12 59
38 A 38 TYR Y E E AAc - 18 69 -130.3 132.0 179.3 -142.2 12.4 176.0 18 -2.1 18 -2.2 0 0.0 40 -1.1 13 58
39 A 39 ASP D E E AA - 17 0 -95.4 94.8 -178.5 -130.1 31.7 141.9 69 -2.4 0 0.0 0 0.0 0 0.0 10 44
40 A 40 SER S e - 0 0 -47.3 138.6 -179.9 -159.5 15.7 94.8 16 -2.6 0 0.0 38 -1.1 0 0.0 14 38
41 A 41 LYS K S S S+ 0 0 -86.1 -49.6 -179.4 0.4 88.3 25.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
42 A 42 ASN N S S S- 0 0 -124.5 8.1 -179.8 -79.5 117.6 75.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
43 A 43 GLY G S S S+ 0 0 110.9 -11.4 -180.0 140.9 85.3 75.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
44 A 44 GLU E - 0 0 -61.6 157.0 178.4 -116.3 53.3 98.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
45 A 45 THR T g > T - 0 0 -96.1 142.6 -177.3 -112.4 27.5 140.5 0 0.0 48 -2.9 0 0.0 0 0.0 9 40
46 A 46 PHE F G G > TS+ 0 0 -49.8 -18.9 -179.9 73.8 111.1 47.3 0 0.0 49 -1.4 0 0.0 0 0.0 11 56
47 A 47 ASP D G G > TS+ 0 0 -67.5 -22.6 179.6 59.3 90.4 37.3 0 0.0 50 -1.0 0 0.0 0 0.0 7 48
48 A 48 LYS K G G < TS+ 0 0 -78.3 -11.9 -178.7 63.5 96.2 51.0 45 -2.9 0 0.0 0 0.0 0 0.0 7 37
49 A 49 GLN Q G e < TS+ 0 0 -92.9 1.8 179.6 86.7 81.8 66.2 46 -1.4 75 -2.4 0 0.0 51 -0.7 10 45
50 A 50 ILE I E E Cd < T - 75 0 -106.0 110.8 -177.1 -165.0 67.4 156.0 47 -1.0 0 0.0 0 0.0 0 0.0 11 53
51 A 51 LEU L E E Cd + 76 0 -102.8 150.5 177.9 3.3 54.1 133.3 75 -2.2 77 -2.5 49 -0.7 0 0.0 10 38
52 A 52 TYR Y S S S+ 0 0 51.1 42.3 178.4 156.2 74.3 34.1 0 0.0 79 -2.4 0 0.0 54 -0.8 9 37
53 A 53 HIS H + 0 0 -102.0 106.3 -178.6 175.7 14.0 148.8 0 0.0 0 0.0 0 0.0 0 0.0 11 41
54 A 54 TYR Y g > > T - 0 0 -116.8 121.8 180.0 -142.9 31.8 160.7 52 -0.8 57 -1.8 0 0.0 58 -0.9 9 32
55 A 55 PRO P G G 4 > TS+ 0 0 -44.8 -41.8 -179.1 63.5 99.4 33.9 0 0.0 58 -1.0 0 0.0 0 0.0 8 26
56 A 56 ILE I G G 4 3 TS+ 0 0 -57.7 -34.3 179.7 53.6 97.4 36.0 0 0.0 0 0.0 0 0.0 0 0.0 4 28
57 A 57 LEU L G G 4 < TS- 0 0 -73.8 -20.5 177.4 -146.3 99.8 42.7 54 -1.8 0 0.0 0 0.0 0 0.0 9 36
58 A 58 ASN N g < < T + 0 0 60.8 38.1 177.9 147.7 42.0 33.6 55 -1.0 0 0.0 54 -0.9 0 0.0 7 34
59 A 59 ASP D - 0 0 -102.4 141.2 -179.2 -145.2 34.2 147.2 0 0.0 0 0.0 0 0.0 0 0.0 13 41
60 A 60 LYS K e - 0 0 -108.0 157.6 178.0 -147.5 6.5 137.5 0 0.0 114 -2.2 0 0.0 0 0.0 9 43
61 A 61 LEU L E E Bbe - 30 114 -121.8 127.8 179.3 -168.1 16.6 171.4 29 -1.8 31 -2.1 0 0.0 0 0.0 11 55
62 A 62 LYS K E E Bbe - 31 115 -121.1 133.0 179.2 -179.5 7.2 166.9 114 -2.9 116 -3.2 0 0.0 0 0.0 12 53
63 A 63 ILE I E E Bbe - 32 116 -133.3 124.6 -179.2 -146.2 15.8 174.2 31 -2.2 33 -0.8 0 0.0 0 0.0 12 60
64 A 64 GLY G e - 0 0 -72.3 -160.8 -179.7 -75.9 30.4 76.7 116 -1.6 33 -1.3 117 -0.8 0 0.0 13 49
65 A 65 LYS K S S S+ 0 0 -102.4 160.4 178.6 21.6 101.5 128.5 0 0.0 119 -3.1 0 0.0 0 0.0 13 50
66 A 66 PHE F S S S+ 0 0 53.2 43.0 178.4 156.8 80.8 29.1 0 0.0 0 0.0 0 0.0 0 0.0 13 55
67 A 67 CYS C e - 0 0 -97.2 146.7 178.6 -144.1 36.7 138.2 0 0.0 37 -2.2 0 0.0 69 -0.6 15 51
68 A 68 SER S E E Acf - 37 121 -114.1 106.4 -179.0 -171.7 17.9 158.1 120 -3.0 122 -2.6 0 0.0 70 -0.7 11 50
69 A 69 ILE I E E Acf - 38 122 -105.4 114.4 -178.8 -142.7 13.2 150.4 37 -2.0 39 -2.4 67 -0.6 0 0.0 13 62
70 A 70 GLY G e > T - 0 0 -67.8 167.8 -180.0 -74.5 35.0 96.0 122 -2.4 73 -1.3 68 -0.7 0 0.0 13 48
71 A 71 PRO P T T 3 TS+ 0 0 -65.0 140.7 178.5 15.8 113.0 109.7 0 0.0 125 -2.0 0 0.0 0 0.0 11 42
72 A 72 GLY G T T 3 TS+ 0 0 79.4 -1.8 -179.4 158.3 79.9 65.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
73 A 73 VAL V t < T - 0 0 -57.0 138.6 -178.5 -156.7 25.2 107.0 70 -1.3 0 0.0 0 0.0 0 0.0 14 52
74 A 74 THR T E E C g - 0 127 -127.1 133.5 179.7 -163.3 13.1 168.5 126 -3.1 128 -3.7 0 0.0 76 -0.5 11 53
75 A 75 ILE I E E Cdg - 50 128 -117.2 117.6 -179.8 -156.8 10.4 164.7 49 -2.4 51 -2.2 0 0.0 77 -0.6 11 60
76 A 76 ILE I E E Cd - 51 0 -99.3 120.1 179.9 -166.5 9.1 146.9 128 -3.5 0 0.0 74 -0.5 0 0.0 12 49
77 A 77 MET M e > T - 0 0 -94.7 178.6 -176.6 -91.0 39.6 112.8 51 -2.5 80 -0.7 75 -0.6 0 0.0 15 50
78 A 78 ASN N G G > TS+ 0 0 -74.5 4.1 -179.4 104.1 94.1 67.9 0 0.0 81 -1.4 0 0.0 0 0.0 12 43
79 A 79 GLY G G G 3 TS+ 0 0 -64.6 -6.7 -179.0 45.5 83.1 55.1 52 -2.4 0 0.0 0 0.0 0 0.0 9 42
80 A 80 ALA A G G < TS+ 0 0 -127.9 31.0 177.4 126.2 73.6 87.6 77 -0.7 0 0.0 0 0.0 0 0.0 6 36
81 A 81 ASN N g < T - 0 0 -86.0 129.8 179.1 -140.3 52.7 138.5 78 -1.4 0 0.0 0 0.0 0 0.0 6 41
82 A 82 HIS H - 0 0 -86.8 153.4 178.0 -96.1 29.4 127.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
83 A 83 ARG R - 0 0 -63.5 151.2 -177.3 -172.2 42.6 113.6 0 0.0 0 0.0 0 0.0 0 0.0 11 27
84 A 84 MET M + 0 0 -134.4 9.8 179.3 92.8 57.0 69.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
85 A 85 ASP D S S S- 0 0 -78.0 -11.4 179.2 -7.9 111.4 47.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
86 A 86 GLY G S S S- 0 0 -145.6 -130.8 -179.8 -1.1 123.6 108.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
87 A 87 SER S - 0 0 -71.8 147.2 -179.5 -144.5 52.9 115.6 0 0.0 0 0.0 0 0.0 0 0.0 6 17
88 A 88 THR T + 0 0 -92.9 5.9 -178.7 120.4 61.4 69.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19
89 A 89 TYR Y - 0 0 -75.3 128.2 180.0 -133.3 65.3 123.7 0 0.0 91 -1.8 0 0.0 0 0.0 5 21
90 A 90 PRO P g > > T + 0 0 -82.1 71.2 179.3 165.8 36.0 117.7 0 0.0 93 -1.4 0 0.0 94 -0.6 8 27
91 A 91 PHE F G G 4 > TS+ 0 0 -48.0 -52.9 -178.4 57.9 73.0 22.8 89 -1.8 94 -1.7 0 0.0 0 0.0 10 22
92 A 92 ASN N G G 4 > TS+ 0 0 -52.9 -27.4 -179.1 72.2 91.5 41.9 0 0.0 95 -1.5 0 0.0 0 0.0 10 24
93 A 93 LEU L G G 4 < TS+ 0 0 -58.9 -35.5 -176.8 50.2 95.9 32.0 90 -1.4 0 0.0 0 0.0 0 0.0 8 22
94 A 94 PHE F G G < < TS- 0 0 -91.1 11.7 179.2 -171.0 86.0 74.2 91 -1.7 0 0.0 90 -0.6 0 0.0 8 15
95 A 95 GLY G g X T + 0 0 35.8 -132.9 -178.6 128.9 41.8 87.1 92 -1.5 98 -2.4 0 0.0 0 0.0 8 14
96 A 96 ASN N T T 3 TS- 0 0 53.8 35.3 179.1 -37.5 115.2 29.8 0 0.0 0 0.0 0 0.0 0 0.0 5 12
97 A 97 GLY G T g > TS+ 0 0 105.9 -23.0 180.0 94.6 129.3 83.8 0 0.0 100 -0.9 0 0.0 0 0.0 5 12
98 A 98 TRP W G G X T + 0 0 -79.2 -4.8 -179.6 89.0 60.4 58.2 95 -2.4 101 -1.4 0 0.0 0 0.0 11 14
99 A 99 GLU E G G > TS+ 0 0 -68.4 -12.4 179.9 70.8 72.6 51.6 0 0.0 102 -0.8 0 0.0 0 0.0 11 15
100 A 100 LYS K G G < TS+ 0 0 -77.2 -17.4 179.7 63.8 87.6 48.6 97 -0.9 0 0.0 0 0.0 0 0.0 6 15
101 A 101 HIS H G G < TS+ 0 0 -95.4 30.6 179.6 143.5 74.8 91.9 98 -1.4 0 0.0 0 0.0 0 0.0 7 26
102 A 102 MET M g < T - 0 0 -73.4 136.4 -179.8 -101.6 57.5 120.5 99 -0.8 0 0.0 0 0.0 0 0.0 9 30
103 A 103 PRO P - 0 0 -58.6 142.2 179.0 -128.0 26.3 102.2 0 0.0 105 -0.6 0 0.0 0 0.0 8 32
104 A 104 LYS K g > T - 0 0 -94.3 128.5 -179.9 -112.0 30.2 148.3 0 0.0 107 -3.4 0 0.0 0 0.0 6 24
105 A 105 LEU L G G > TS+ 0 0 -26.5 -40.7 -179.4 58.9 118.2 45.1 103 -0.6 108 -1.5 0 0.0 0 0.0 7 26
106 A 106 ASP D G G 3 TS+ 0 0 -81.7 14.6 177.8 62.1 96.0 73.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
107 A 107 GLN Q G G < TS+ 0 0 -112.8 1.2 -179.3 63.5 97.1 72.2 104 -3.4 0 0.0 0 0.0 0 0.0 7 26
108 A 108 LEU L S g < TS- 0 0 -124.3 66.0 -179.8 -177.4 75.8 126.7 105 -1.5 0 0.0 0 0.0 0 0.0 10 36
109 A 109 PRO P - 0 0 -64.3 160.1 178.8 -148.2 11.2 101.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
110 A 110 ILE I - 0 0 -130.4 147.8 -179.7 -135.0 17.2 163.3 0 0.0 0 0.0 0 0.0 0 0.0 7 39
111 A 111 LYS K - 0 0 -65.6 -48.7 179.0 -82.4 68.6 18.4 0 0.0 0 0.0 0 0.0 0 0.0 6 34
112 A 112 GLY G - 0 0 170.6 -167.1 178.9 -43.3 57.7 168.1 0 0.0 131 -0.6 0 0.0 0 0.0 8 34
113 A 113 ASP D - 0 0 -80.8 167.6 178.5 -114.0 52.9 109.3 0 0.0 115 -0.6 0 0.0 0 0.0 12 46
114 A 114 THR T E E Be - 61 0 -108.5 123.3 -177.3 -177.5 36.4 158.7 60 -2.2 62 -2.9 0 0.0 0 0.0 13 51
115 A 115 ILE I E E Beh - 62 133 -128.7 122.6 177.8 -172.2 13.3 167.8 132 -2.0 134 -3.0 113 -0.6 0 0.0 11 54
116 A 116 ILE I E E Beh - 63 134 -111.6 130.1 -178.6 -137.1 24.0 160.7 62 -3.2 64 -1.6 0 0.0 0 0.0 12 66
117 A 117 GLY G e - 0 0 -73.0 -164.8 -179.6 -74.2 28.0 77.9 134 -2.3 64 -0.8 0 0.0 0 0.0 15 53
118 A 118 ASN N S S S+ 0 0 -94.7 154.4 178.8 15.5 108.8 130.2 0 0.0 137 -2.3 0 0.0 0 0.0 14 51
119 A 119 ASP D S S S+ 0 0 53.5 38.8 179.3 157.1 86.7 31.3 65 -3.1 0 0.0 0 0.0 0 0.0 13 57
120 A 120 VAL V e - 0 0 -97.8 134.5 178.7 -153.3 33.0 143.8 0 0.0 68 -3.0 0 0.0 122 -0.7 15 61
121 A 121 TRP W E E Afi - 68 139 -110.2 107.1 -179.4 -171.7 11.8 156.4 138 -2.2 140 -2.8 0 0.0 123 -0.6 12 56
122 A 122 ILE I E E Afi - 69 140 -102.2 121.0 -179.3 -133.2 19.1 152.0 68 -2.6 70 -2.4 120 -0.7 0 0.0 14 64
123 A 123 GLY G e > T - 0 0 -63.2 177.7 -179.1 -67.6 37.7 87.5 140 -3.0 126 -0.9 121 -0.6 0 0.0 15 43
124 A 124 LYS K T T 3 TS+ 0 0 -74.3 142.4 179.3 6.6 111.5 114.8 0 0.0 143 -2.3 0 0.0 0 0.0 12 40
125 A 125 ASP D T T 3 TS+ 0 0 62.1 22.9 178.0 157.9 83.6 46.6 71 -2.0 0 0.0 0 0.0 0 0.0 12 40
126 A 126 VAL V e < T - 0 0 -75.7 141.2 179.1 -147.0 31.6 122.6 123 -0.9 74 -3.1 0 0.0 128 -0.5 16 51
127 A 127 VAL V E E Cgj - 74 145 -114.2 123.6 -178.9 -155.9 6.8 163.7 144 -2.6 146 -2.6 0 0.0 129 -0.6 12 51
128 A 128 ILE I E E Cgj - 75 146 -105.1 119.1 -179.2 -148.3 10.4 152.8 74 -3.7 76 -3.5 126 -0.5 0 0.0 12 64
129 A 129 MET M e > T - 0 0 -81.5 160.1 -179.7 -76.2 32.9 111.2 146 -2.4 132 -0.6 127 -0.6 0 0.0 11 50
130 A 130 PRO P T T 3 TS+ 0 0 -54.7 149.9 177.5 17.5 108.7 95.3 0 0.0 0 0.0 0 0.0 0 0.0 14 48
131 A 131 GLY G T T 3 TS+ 0 0 57.1 39.3 -179.4 141.5 87.7 35.3 112 -0.6 0 0.0 0 0.0 0 0.0 12 44
132 A 132 VAL V e < T - 0 0 -112.8 144.6 178.0 -157.0 36.4 148.3 129 -0.6 115 -2.0 0 0.0 0 0.0 14 46
133 A 133 LYS K E E Bh - 115 0 -124.4 123.3 179.6 -164.0 3.3 169.5 0 0.0 150 -2.5 0 0.0 135 -0.6 12 49
134 A 134 ILE I E E Bha - 116 150 -109.3 118.0 -177.7 -128.1 22.3 157.5 115 -3.0 117 -2.3 0 0.0 0 0.0 13 56
135 A 135 GLY G t > T - 0 0 -66.6 155.6 178.7 -82.6 31.8 98.6 150 -3.6 138 -1.9 133 -0.6 0 0.0 15 55
136 A 136 ASP D T T 3 TS+ 0 0 -51.1 143.6 177.6 15.8 113.1 98.6 0 0.0 153 -2.9 0 0.0 0 0.0 13 53
137 A 137 GLY G T T 3 TS+ 0 0 74.7 -11.4 -179.6 146.0 89.4 72.8 118 -2.3 0 0.0 0 0.0 0 0.0 12 57
138 A 138 ALA A e < T - 0 0 -61.0 152.6 178.3 -148.5 38.6 100.1 135 -1.9 121 -2.2 0 0.0 0 0.0 16 57
139 A 139 ILE I E E Aik - 121 155 -124.3 117.4 -179.8 -160.6 8.6 172.7 154 -2.4 156 -2.3 0 0.0 141 -0.6 12 52
140 A 140 VAL V E E Aik - 122 156 -106.0 118.3 -179.0 -124.5 20.4 154.5 121 -2.8 123 -3.0 0 0.0 0 0.0 12 59
141 A 141 ALA A e > T - 0 0 -59.8 149.3 -179.6 -86.4 36.6 99.6 156 -2.5 144 -1.1 139 -0.6 0 0.0 13 43
142 A 142 ALA A T T 3 TS+ 0 0 -57.7 139.5 179.1 16.9 110.4 103.0 0 0.0 0 0.0 0 0.0 0 0.0 10 37
143 A 143 ASN N T T 3 TS+ 0 0 69.0 24.9 178.6 148.9 90.7 42.4 124 -2.3 0 0.0 0 0.0 0 0.0 11 33
144 A 144 SER S e < T - 0 0 -85.9 158.6 176.7 -145.7 41.6 120.3 141 -1.1 127 -2.6 0 0.0 146 -0.5 15 42
145 A 145 VAL V E E Cj - 127 0 -124.5 109.1 -178.4 -150.9 14.8 164.5 158 -2.4 161 -2.6 0 0.0 147 -0.7 13 42
146 A 146 VAL V E E Cj + 128 0 -88.5 118.8 -178.7 152.3 33.0 137.3 127 -2.6 129 -2.4 144 -0.5 0 0.0 13 50
147 A 147 VAL V + 0 0 -116.3 -22.5 177.8 33.3 63.5 52.3 145 -0.7 0 0.0 0 0.0 0 0.0 10 40
148 A 148 LYS K S S S- 0 0 -130.3 169.4 -178.1 -70.6 97.1 147.4 0 0.0 0 0.0 0 0.0 0 0.0 8 41
149 A 149 ASP D - 0 0 -60.5 150.4 177.5 -148.9 36.8 99.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
150 A 150 ILE I B B a - 134 0 -124.5 126.0 -178.9 -127.4 18.5 172.2 133 -2.5 135 -3.6 0 0.0 0 0.0 12 48
151 A 151 ALA A t > T - 0 0 -68.0 162.3 179.8 -75.8 39.0 99.2 0 0.0 154 -1.2 0 0.0 0 0.0 9 43
152 A 152 PRO P T T 3 TS+ 0 0 -60.2 138.2 178.3 3.6 112.3 106.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
153 A 153 TYR Y T e 3 TS+ 0 0 56.9 29.2 178.3 139.7 96.8 41.9 136 -2.9 167 -2.6 0 0.0 0 0.0 13 47
154 A 154 MET M E E A L< T - 0 166 -101.5 157.9 178.0 -132.5 52.4 132.1 151 -1.2 139 -2.4 0 0.0 156 -0.5 15 45
155 A 155 LEU L E E AkL + 139 165 -105.8 125.9 -179.2 174.8 36.0 158.9 165 -2.8 164 -2.6 0 0.0 165 -1.3 13 43
156 A 156 ALA A E E AkL + 140 163 -135.0 156.1 180.0 154.3 5.0 162.4 139 -2.3 141 -2.5 154 -0.5 0 0.0 14 45
157 A 157 GLY G E E A L >T + 0 162 -172.9 163.6 179.7 59.6 21.2 170.0 162 -2.5 162 -2.5 0 0.0 0 0.0 14 41
158 A 158 GLY G T T 5TS- 0 0 105.0 176.9 179.3 -53.3 77.9 112.6 0 0.0 145 -2.4 0 0.0 0 0.0 10 31
159 A 159 ASN N T T 5TS+ 0 0 -137.0 98.6 -1.2 25.9 141.4 149.1 0 0.0 0 0.0 0 0.0 0 0.0 9 29
160 A 160 PRO P T T 5TS- 0 0 -68.9 153.6 -179.8 -125.3 116.5 60.2 0 0.0 0 0.0 0 0.0 0 0.0 9 27
161 A 161 ALA A T T 5T - 0 0 -70.3 138.8 178.2 -172.7 30.7 115.9 145 -2.6 0 0.0 0 0.0 0 0.0 12 38
162 A 162 ASN N E E AL T - 0 0 -72.0 169.6 -178.4 -98.8 54.0 106.0 0 0.0 173 -1.5 0 0.0 0 0.0 7 22
170 A 170 GLN Q H H > TS+ 0 0 -58.8 -40.8 -179.6 52.0 119.1 31.7 0 0.0 174 -2.4 0 0.0 0 0.0 6 24
171 A 171 ASP D H H > TS+ 0 0 -65.5 -45.5 179.0 51.8 106.3 24.8 0 0.0 175 -2.8 0 0.0 0 0.0 6 25
172 A 172 THR T H H > TS+ 0 0 -57.4 -38.8 -179.1 46.4 114.2 25.7 0 0.0 176 -2.2 0 0.0 0 0.0 9 34
173 A 173 ILE I H H X TS+ 0 0 -70.6 -44.7 179.8 47.0 112.6 26.4 169 -1.5 177 -3.1 0 0.0 0 0.0 11 39
174 A 174 ASN N H H X TS+ 0 0 -67.4 -34.3 179.4 51.1 112.7 29.6 170 -2.4 178 -0.7 0 0.0 0 0.0 8 29
175 A 175 GLN Q H H X > TS+ 0 0 -66.2 -46.1 179.5 45.8 113.1 17.1 171 -2.8 179 -2.9 0 0.0 178 -0.7 10 29
176 A 176 LEU L H H X 3 TS+ 0 0 -62.0 -45.5 179.7 55.5 107.2 25.1 172 -2.2 180 -2.1 0 0.0 0 0.0 10 43
177 A 177 LEU L H H < 3 TS+ 0 0 -61.8 -16.7 179.2 44.6 114.8 44.5 173 -3.1 0 0.0 0 0.0 0 0.0 8 40
178 A 178 ASP D H H < < TS+ 0 0 -88.3 -59.2 -179.7 49.9 109.3 23.3 174 -0.7 0 0.0 175 -0.7 0 0.0 6 31
179 A 179 ILE I H H < TS- 0 0 -49.9 -37.6 -179.1 -169.1 79.2 37.7 175 -2.9 0 0.0 0 0.0 0 0.0 9 35
180 A 180 LYS K h < > T - 0 0 40.4 63.7 179.8 -178.8 7.4 25.3 176 -2.1 183 -2.0 0 0.0 0 0.0 8 43
181 A 181 TRP W G G > TS+ 0 0 -61.2 -27.5 179.9 70.4 74.4 37.1 0 0.0 184 -1.9 0 0.0 0 0.0 8 47
182 A 182 TRP W G G 3 TS+ 0 0 -64.5 -11.4 -179.4 57.0 95.7 48.9 0 0.0 0 0.0 0 0.0 0 0.0 9 47
183 A 183 ASN N G G < TS+ 0 0 -98.5 -1.2 -179.7 105.3 83.9 64.8 180 -2.0 0 0.0 0 0.0 0 0.0 5 35
184 A 184 TRP W S g < TS- 0 0 -79.0 153.1 179.7 -90.2 84.7 116.9 181 -1.9 0 0.0 0 0.0 0 0.0 9 30
185 A 185 PRO P h > > T - 0 0 -61.2 146.6 -178.6 -108.0 42.1 107.1 0 0.0 189 -1.8 0 0.0 188 -1.5 6 25
186 A 186 ILE I H H > 3 TS+ 0 0 -42.9 -43.3 -178.1 58.4 117.3 31.6 0 0.0 190 -2.7 0 0.0 0 0.0 6 26
187 A 187 ASP D H H > 3 TS+ 0 0 -60.7 -36.3 -179.5 45.6 106.3 32.3 0 0.0 191 -0.7 0 0.0 0 0.0 7 20
188 A 188 ILE I H H 4 < TS+ 0 0 -78.2 -27.3 -179.7 51.5 112.6 35.6 185 -1.5 0 0.0 0 0.0 0 0.0 8 23
189 A 189 ILE I H H X > TS+ 0 0 -71.8 -46.7 179.3 57.5 103.1 17.7 185 -1.8 192 -2.6 0 0.0 193 -1.0 11 34
190 A 190 ASN N H H < 3 TS+ 0 0 -50.8 -30.5 -179.4 58.1 103.2 38.3 186 -2.7 0 0.0 0 0.0 0 0.0 9 24
191 A 191 GLU E T h < 3 TS+ 0 0 -77.6 -13.3 -176.7 29.4 116.8 55.9 187 -0.7 0 0.0 0 0.0 0 0.0 6 24
192 A 192 ASN N T h > X TS+ 0 0 -132.4 8.4 -178.1 120.8 72.8 70.3 189 -2.6 196 -3.0 0 0.0 195 -1.2 9 28
193 A 193 ILE I H H X 3 TS+ 0 0 -42.0 -46.6 -179.8 48.9 84.7 30.0 189 -1.0 197 -2.5 0 0.0 0 0.0 8 31
194 A 194 ASP D H H > 3 TS+ 0 0 -63.9 -35.3 -179.2 45.5 113.8 30.5 0 0.0 198 -1.4 0 0.0 0 0.0 6 20
195 A 195 LYS K H H 4 <>TS+ 0 0 -77.9 -29.1 178.2 45.7 116.0 35.7 192 -1.2 201 -1.7 0 0.0 200 -0.7 9 26
196 A 196 ILE I H H < 5TS+ 0 0 -79.6 -27.7 -179.2 56.5 110.6 38.9 192 -3.0 0 0.0 0 0.0 0 0.0 10 37
197 A 197 LEU L H H < 5TS+ 0 0 -73.7 -31.0 179.3 33.0 116.4 36.4 193 -2.5 0 0.0 0 0.0 0 0.0 7 28
198 A 198 ASP D T h < 5TS- 0 0 -110.7 16.4 177.4 -119.5 108.3 80.8 194 -1.4 0 0.0 0 0.0 0 0.0 7 22
199 A 199 ASN N T T >5TS+ 0 0 61.6 6.0 178.9 122.3 80.5 57.4 0 0.0 202 -1.2 0 0.0 0 0.0 7 36
200 A 200 SER S T h > > 3 TS+ 0 0 -68.0 -12.6 -178.9 68.2 73.3 48.9 195 -1.7 205 -1.5 0 0.0 0 0.0 10 34
202 A 202 ILE I H H > <>TS+ 0 0 -75.2 -37.5 -179.2 48.0 97.1 31.4 199 -1.2 206 -0.9 0 0.0 207 -0.7 12 32
203 A 203 ARG R H H > <5TS+ 0 0 -73.8 -33.0 179.9 53.4 109.6 32.4 200 -0.8 207 -0.6 0 0.0 0 0.0 7 25
204 A 204 GLU E H H < 5TS+ 0 0 -66.1 -54.2 179.5 25.8 122.8 13.9 200 -1.1 0 0.0 0 0.0 0 0.0 7 25
205 A 205 VAL V H H < 5TS+ 0 0 -72.2 -71.9 -179.9 41.7 127.8 6.8 201 -1.5 0 0.0 0 0.0 0 0.0 7 29
206 A 206 ILE I H H < 5T 0 0 -41.7 -55.5 -179.2 999.9 999.9 26.7 202 -0.9 0 0.0 0 0.0 0 0.0 7 21
207 A 207 TRP W h < 33< >33< >33X33< >>><<< >>3<< >33< >>3<< >>><X>< 3-turns
bridge-2 cc eee ff gg bridge-2
bridge-1 AAA bbb AAA dd bbb cc dd bridge-1
sheets AAA BBB AAA CC BBB AA CCC sheets
4-turns >>>4<<< >444< >444< 4-turns
summary tTTtSS tTTtSeEEEHHHHHhTtTeEEEeSSeEEEeSSS gGGGeEES gGGGg eEEEeSSeEEeTTtEEEeGGGg SS gGGGGgTgGGG summary
sequence MGPNPMKMYPIEGNKSVQFIKPILEKLENVEVGEYSYYDSKNGETFDKQILYHYPILNDKLKIGKFCSIGPGVTIIMNGANHRMDGSTYPFNLFGNGWEK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand G GGGS EEE SS EE TT EE TT EE TT EE TT EE S B TTEEEETTTTEEEEESS HHHHHHHHHH GGGS HHHHHTTHHHHHTTT Kabs/Sand
chirality +---+++----------++----++----++----++----++--++----++-+++-+-------+--+++++++++--+++--++++++++++++-++ chirality
bends S SSSS SS SS SS SS SS S SS SSS SS SSSSSSSSSS SSSS SSSSSSSSSSSSSS bends
turns TT TTTTT TTTT TTTT TTTT TTTT TTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns << >>3<< >33< >33< >33< >33< >33< >33< >>3<<>33<>33X33< >> 3-turns
bridge-2 hh ii jj a kk LLLL bridge-2
bridge-1 eee ff gg hh ii jj a kk LL*LL bridge-1
sheets BBB AA CC BB AA CC AAAA AAAAA sheets
4-turns >>>>XXXX<<<< >>>4X<<>X>4<<< > 4-turns
summary Gg gGGGg EEEeSSeEEeTTeEEeTTeEEtTTeEEeTTeEE S BtTeEEEETTTTEEEEEeShHHHHHHHHHHhGGGghHHHHHhhHHHHHhTh summary
sequence HMPKLDQLPIKGDTIIGNDVWIGKDVVIMPGVKIGDGAIVAANSVVVKDIAPYMLAGGNPANEIKQRFDQDTINQLLDIKWWNWPIDIINENIDKILDNS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHH Kabs/Sand
chirality +++++ chirality
bends SSSSS bends
turns TTTTTTT turns
5-turns >5555< 5-turns
3-turns 3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>><<<< 4-turns
summary HHHHHHh summary
sequence IIREVIW sequence